#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ux6 s ASP 2 N 0.00 3.67 0.16 0.00 1.01 -1.26 -1.68 116.67 118.58 2ux6 s ASP 2 Ca 0.00 -0.34 0.06 0.00 0.71 0.00 0.00 52.55 52.97 2ux6 s ASP 2 Cb 0.00 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.26 2ux6 s ASP 2 CO 0.00 0.31 -0.12 -0.36 0.21 0.00 0.00 175.17 175.21 2ux6 s PHE 3 N -0.75 1.42 -0.00 4.23 0.40 0.01 -4.96 117.98 118.31 2ux6 s PHE 3 Ca 0.12 -0.67 0.08 0.00 -0.60 0.00 0.00 56.93 55.86 2ux6 s PHE 3 Cb -0.10 -0.70 -0.02 0.00 0.51 0.00 0.00 43.02 42.70 2ux6 s PHE 3 CO 0.01 0.17 -0.26 -1.21 0.70 0.00 0.00 175.22 174.64 2ux6 s GLU 4 N -3.53 2.01 -0.13 0.44 2.02 -1.26 -1.02 118.70 117.22 2ux6 s GLU 4 Ca 0.17 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 54.21 2ux6 s GLU 4 Cb 0.00 -2.00 0.02 0.00 0.10 0.00 0.00 34.13 32.25 2ux6 s GLU 4 CO 0.03 0.54 -0.17 0.08 0.02 0.00 0.00 175.26 175.76 2ux6 s VAL 5 N -0.65 1.72 -0.02 2.63 1.01 -0.46 -4.58 120.40 120.06 2ux6 s VAL 5 Ca 0.10 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 2ux6 s VAL 5 Cb -0.10 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2ux6 s VAL 5 CO -0.00 0.48 0.21 -1.00 0.00 0.00 0.00 175.10 174.80 2ux6 s HIS 6 N 1.07 3.57 -0.27 5.22 3.76 0.11 -0.47 115.29 128.28 2ux6 s HIS 6 Ca -0.03 0.48 -0.11 0.00 -0.15 0.00 0.00 55.06 55.25 2ux6 s HIS 6 Cb -0.14 -1.92 -0.05 0.00 1.11 0.00 0.00 32.58 31.58 2ux6 s HIS 6 CO -0.05 0.65 0.17 -1.64 -0.85 0.00 0.00 174.74 173.02 2ux6 s MET 7 N -1.73 3.92 0.02 1.40 -1.94 -0.64 -0.79 119.30 119.55 2ux6 s MET 7 Ca 0.26 -0.34 0.04 0.00 -1.71 0.00 0.00 55.69 53.94 2ux6 s MET 7 Cb -0.13 -3.61 -0.02 0.00 2.01 0.00 0.00 34.83 33.08 2ux6 s MET 7 CO 0.15 -0.17 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.36 2ux6 s LEU 8 N 1.71 2.13 0.32 -0.03 1.43 -0.52 -1.66 118.68 122.06 2ux6 s LEU 8 Ca 0.07 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2ux6 s LEU 8 Cb -0.16 -0.54 0.55 0.00 0.03 0.00 0.00 46.19 46.07 2ux6 s LEU 8 CO 0.10 0.04 1.82 0.78 0.23 0.00 0.00 176.35 179.32 2ux6 h ASN 9 N 5.20 0.44 -4.65 2.29 2.35 -1.92 -1.27 115.58 118.02 2ux6 h ASN 9 Ca -0.36 -0.11 -0.28 0.00 -0.55 0.00 0.00 56.30 55.00 2ux6 h ASN 9 Cb 1.18 -0.12 -0.22 0.00 0.05 0.00 0.00 38.32 39.21 2ux6 h ASN 9 CO 0.45 0.61 -0.74 -0.75 -1.65 0.00 0.00 177.43 175.35 2ux6 s LYS 10 N -4.73 0.53 0.25 0.81 2.20 -1.26 0.18 119.74 117.72 2ux6 s LYS 10 Ca -0.07 -0.69 -0.21 0.00 -0.36 0.00 0.00 55.97 54.64 2ux6 s LYS 10 Cb 0.15 -0.32 0.03 0.00 -1.51 0.00 0.00 37.83 36.17 2ux6 s LYS 10 CO 0.77 0.06 0.68 0.20 -0.36 0.00 0.00 175.35 176.70 2ux6 s GLY 11 N -1.40 -0.15 0.64 5.54 0.00 0.14 -4.88 107.32 107.21 2ux6 s GLY 11 Ca -0.08 -0.20 0.35 0.00 0.00 0.00 0.00 44.72 44.78 2ux6 s GLY 11 CO 0.00 -0.08 2.15 0.50 0.00 0.00 0.00 173.10 175.67 2ux6 h LYS 12 N 2.02 0.00 -0.11 2.90 6.56 -2.01 2.28 116.57 128.22 2ux6 h LYS 12 Ca -0.22 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.37 2ux6 h LYS 12 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 2ux6 h LYS 12 CO 0.27 0.00 0.00 -3.47 -2.06 0.00 0.00 179.45 174.19 2ux6 n ASP 13 N -3.30 1.78 0.00 0.86 -0.08 -1.26 -5.04 116.55 109.51 2ux6 n ASP 13 Ca -0.01 -1.65 0.00 0.00 -1.51 0.00 0.00 54.79 51.62 2ux6 n ASP 13 Cb 0.25 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.65 2ux6 n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ux6 n GLY 14 N 1.18 -0.23 3.75 0.27 0.00 0.77 -5.00 105.19 105.92 2ux6 n GLY 14 Ca 0.17 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 2ux6 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ux6 s ALA 15 N -2.00 3.32 -0.25 4.61 0.00 -1.26 0.24 121.76 126.42 2ux6 s ALA 15 Ca 0.00 0.57 -0.08 0.00 0.00 0.00 0.00 51.96 52.45 2ux6 s ALA 15 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.93 2ux6 s ALA 15 CO 0.00 0.14 0.34 -1.33 0.00 0.00 0.00 175.76 174.91 2ux6 n MET 16 N 1.92 -1.29 -4.14 0.00 2.81 0.13 -4.82 117.12 111.73 2ux6 n MET 16 Ca -0.01 1.39 -0.16 0.00 -1.81 0.00 0.00 57.70 57.11 2ux6 n MET 16 Cb 0.48 -3.85 -0.12 0.00 -0.71 0.00 0.00 33.22 29.02 2ux6 n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2ux6 s VAL 17 N -1.98 0.90 0.09 2.03 -7.23 -0.48 -3.77 120.40 109.96 2ux6 s VAL 17 Ca 0.13 -1.29 -0.24 0.00 -1.81 0.00 0.00 61.98 58.77 2ux6 s VAL 17 Cb -0.04 -0.97 -0.07 0.00 0.56 0.00 0.00 36.38 35.87 2ux6 s VAL 17 CO 0.43 -0.33 0.73 -0.36 -0.31 0.00 0.00 175.10 175.26 2ux6 s PHE 18 N -1.50 3.81 -0.16 2.82 0.08 -1.26 -1.44 117.98 120.33 2ux6 s PHE 18 Ca -0.03 1.49 -0.02 0.00 0.12 0.00 0.00 56.93 58.49 2ux6 s PHE 18 Cb -0.09 -2.74 0.05 0.00 -0.57 0.00 0.00 43.02 39.67 2ux6 s PHE 18 CO 0.01 0.42 -0.01 -1.21 -0.10 0.00 0.00 175.22 174.33 2ux6 s GLU 19 N -0.63 0.97 0.69 0.44 0.41 0.03 -2.36 118.70 118.24 2ux6 s GLU 19 Ca 0.36 -0.37 -0.14 0.00 -0.41 0.00 0.00 54.97 54.41 2ux6 s GLU 19 Cb -0.21 -1.86 0.01 0.00 -1.78 0.00 0.00 34.13 30.30 2ux6 s GLU 19 CO 0.23 -0.49 1.10 -1.25 -0.49 0.00 0.00 175.26 174.36 2ux6 s PRO 20 N 1.78 2.67 0.00 0.39 0.04 -1.26 -0.71 135.00 137.92 2ux6 s PRO 20 Ca 0.01 1.33 0.25 0.00 0.04 0.00 0.00 61.00 62.63 2ux6 s PRO 20 Cb -0.15 -1.94 0.54 0.00 0.04 0.00 0.00 34.50 32.98 2ux6 s PRO 20 CO -0.07 -1.34 1.43 0.00 0.04 0.00 0.00 177.00 177.06 2ux6 n ALA 21 N -2.69 3.42 -2.94 8.56 0.00 -1.00 -4.82 120.51 121.05 2ux6 n ALA 21 Ca 0.10 -0.41 -0.19 0.00 0.00 0.00 0.00 53.44 52.94 2ux6 n ALA 21 Cb 0.52 -1.08 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 2ux6 n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2ux6 s SER 22 N -2.74 0.97 -0.12 0.00 1.04 -1.26 -0.32 113.70 111.28 2ux6 s SER 22 Ca 0.17 -0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.40 2ux6 s SER 22 Cb 0.18 -0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.15 2ux6 s SER 22 CO 0.62 0.06 0.27 -0.22 0.98 0.00 0.00 173.24 174.95 2ux6 s LEU 23 N 0.09 0.21 -0.25 2.42 2.96 -0.66 -5.00 118.68 118.46 2ux6 s LEU 23 Ca -0.01 0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 54.39 2ux6 s LEU 23 Cb -0.06 0.80 -0.04 0.00 0.50 0.00 0.00 46.19 47.39 2ux6 s LEU 23 CO -0.00 -0.18 0.12 -0.75 -1.32 0.00 0.00 176.35 174.21 2ux6 s LYS 24 N 1.51 3.84 0.24 1.98 2.20 -1.26 -0.65 119.74 127.61 2ux6 s LYS 24 Ca -0.07 -0.38 0.06 0.00 -0.36 0.00 0.00 55.97 55.21 2ux6 s LYS 24 Cb -0.10 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.73 2ux6 s LYS 24 CO -0.09 -0.08 -0.06 0.14 -0.36 0.00 0.00 175.35 174.90 2ux6 s VAL 25 N 1.39 1.47 0.31 4.02 -7.23 0.27 -4.97 120.40 115.66 2ux6 s VAL 25 Ca 0.06 -2.11 -0.05 0.00 -1.81 0.00 0.00 61.98 58.07 2ux6 s VAL 25 Cb -0.15 -2.31 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 2ux6 s VAL 25 CO 0.06 -0.39 0.59 0.00 -0.31 0.00 0.00 175.10 175.04 2ux6 s ALA 26 N -3.13 3.59 0.21 1.32 0.00 -1.26 -2.22 121.76 120.27 2ux6 s ALA 26 Ca 0.27 -0.54 -0.32 0.00 0.00 0.00 0.00 51.96 51.37 2ux6 s ALA 26 Cb 0.03 -2.34 -0.14 0.00 0.00 0.00 0.00 23.12 20.67 2ux6 s ALA 26 CO 0.09 0.18 1.39 -2.30 0.00 0.00 0.00 175.76 175.13 2ux6 n PRO 27 N -1.07 1.88 -0.09 0.00 -0.02 -1.26 -1.14 135.00 133.29 2ux6 n PRO 27 Ca -0.01 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2ux6 n PRO 27 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2ux6 n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ux6 n GLY 28 N 2.35 1.12 3.79 -1.23 0.00 0.71 -4.96 105.19 106.96 2ux6 n GLY 28 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2ux6 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ux6 s ASP 29 N -2.86 4.59 0.14 1.61 1.01 -0.30 -4.66 116.67 116.21 2ux6 s ASP 29 Ca 0.00 1.52 0.10 0.00 0.71 0.00 0.00 52.55 54.88 2ux6 s ASP 29 Cb 0.00 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 2ux6 s ASP 29 CO 0.00 -1.94 -0.23 0.42 0.21 0.00 0.00 175.17 173.64 2ux6 s THR 30 N -3.04 2.03 -0.07 -1.27 -4.23 -0.67 -1.08 115.64 107.30 2ux6 s THR 30 Ca 0.60 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 2ux6 s THR 30 Cb -0.15 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.83 2ux6 s THR 30 CO 0.55 -0.09 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.73 2ux6 s VAL 31 N -1.45 1.17 -0.21 2.29 1.01 -0.25 -0.81 120.40 122.13 2ux6 s VAL 31 Ca 0.14 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2ux6 s VAL 31 Cb -0.09 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2ux6 s VAL 31 CO 0.07 0.36 0.02 -0.89 0.00 0.00 0.00 175.10 174.66 2ux6 s THR 32 N 0.72 4.10 -0.25 3.92 2.01 -0.19 -0.81 115.64 125.14 2ux6 s THR 32 Ca -0.13 -0.26 -0.20 0.00 0.31 0.00 0.00 61.69 61.41 2ux6 s THR 32 Cb -0.16 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.46 2ux6 s THR 32 CO 0.03 0.40 0.61 -0.36 -0.69 0.00 0.00 174.62 174.61 2ux6 s PHE 33 N 1.15 3.28 -0.19 4.92 0.08 0.31 -1.35 117.98 126.18 2ux6 s PHE 33 Ca 0.03 0.79 0.01 0.00 0.12 0.00 0.00 56.93 57.87 2ux6 s PHE 33 Cb -0.14 -2.82 0.04 0.00 -0.57 0.00 0.00 43.02 39.53 2ux6 s PHE 33 CO 0.02 -0.31 -0.10 0.42 -0.10 0.00 0.00 175.22 175.14 2ux6 s ILE 34 N 2.45 1.59 -0.04 0.64 1.01 0.38 -1.13 121.20 126.10 2ux6 s ILE 34 Ca 0.25 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 2ux6 s ILE 34 Cb -0.16 -1.64 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 2ux6 s ILE 34 CO 0.09 0.21 1.68 -2.84 0.00 0.00 0.00 174.94 174.07 2ux6 s PRO 35 N 1.43 4.18 -0.07 2.79 0.02 -1.26 -1.61 135.00 140.47 2ux6 s PRO 35 Ca -0.00 2.22 -0.00 0.00 0.02 0.00 0.00 61.00 63.24 2ux6 s PRO 35 Cb -0.16 -3.99 -0.26 0.00 0.02 0.00 0.00 34.50 30.12 2ux6 s PRO 35 CO -0.09 -0.85 0.56 1.15 -0.33 0.00 0.00 177.00 177.44 2ux6 h THR 36 N 5.55 0.79 -3.01 0.99 2.02 -1.67 -3.46 112.91 114.12 2ux6 h THR 36 Ca -0.40 -2.54 -0.63 0.00 0.77 0.00 0.00 66.41 63.61 2ux6 h THR 36 Cb 1.18 2.53 -0.15 0.00 -1.74 0.00 0.00 68.15 69.98 2ux6 h THR 36 CO 0.95 0.76 -0.73 -1.81 0.37 0.00 0.00 175.52 175.06 2ux6 s ASP 37 N -6.74 4.16 0.54 4.18 1.01 -1.05 -5.05 116.67 113.73 2ux6 s ASP 37 Ca -0.14 -0.61 -0.19 0.00 0.71 0.00 0.00 52.55 52.32 2ux6 s ASP 37 Cb 0.07 -0.67 -0.06 0.00 1.01 0.00 0.00 42.92 43.27 2ux6 s ASP 37 CO 0.80 0.10 1.10 -0.54 0.21 0.00 0.00 175.17 176.85 2ux6 s LYS 38 N -2.82 3.40 0.00 8.23 1.02 -1.26 -4.40 119.74 123.91 2ux6 s LYS 38 Ca 0.24 1.51 0.00 0.00 0.02 0.00 0.00 55.97 57.75 2ux6 s LYS 38 Cb -0.09 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 2ux6 s LYS 38 CO 0.15 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.20 2ux6 n GLY 39 N -0.06 1.08 3.50 -3.33 0.00 -1.26 -4.97 105.19 100.14 2ux6 n GLY 39 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2ux6 n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ux6 s HIS 40 N -2.00 2.40 0.03 1.61 3.76 -1.26 -4.81 115.29 115.02 2ux6 s HIS 40 Ca 0.00 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 2ux6 s HIS 40 Cb 0.00 -1.11 -0.00 0.00 1.11 0.00 0.00 32.58 32.58 2ux6 s HIS 40 CO 0.00 0.61 0.03 0.27 -0.85 0.00 0.00 174.74 174.80 2ux6 n ASN 41 N -0.29 -0.08 -3.91 1.40 6.94 -1.26 -1.19 115.26 116.87 2ux6 n ASN 41 Ca -0.08 -1.18 -0.13 0.00 -0.02 0.00 0.00 54.58 53.17 2ux6 n ASN 41 Cb 0.58 0.17 -0.14 0.00 -2.36 0.00 0.00 39.78 38.03 2ux6 n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2ux6 s VAL 42 N -2.23 0.13 0.02 3.53 0.11 -1.26 -4.16 120.40 116.55 2ux6 s VAL 42 Ca 0.03 -0.15 -0.15 0.00 -2.93 0.00 0.00 61.98 58.78 2ux6 s VAL 42 Cb 0.00 -0.14 0.03 0.00 -1.53 0.00 0.00 36.38 34.74 2ux6 s VAL 42 CO 0.02 -0.01 0.34 -1.83 -3.33 0.00 0.00 175.10 170.29 2ux6 s GLU 43 N -0.18 0.79 0.48 1.54 -1.05 0.27 -0.83 118.70 119.72 2ux6 s GLU 43 Ca -0.01 -0.36 -0.22 0.00 -0.15 0.00 0.00 54.97 54.24 2ux6 s GLU 43 Cb -0.01 0.35 -0.07 0.00 -0.44 0.00 0.00 34.13 33.95 2ux6 s GLU 43 CO -0.00 -0.25 1.12 0.95 0.95 0.00 0.00 175.26 178.03 2ux6 s THR 44 N -2.11 3.32 0.07 1.83 -4.23 -0.63 -0.60 115.64 113.29 2ux6 s THR 44 Ca -0.08 0.92 -0.26 0.00 -1.18 0.00 0.00 61.69 61.09 2ux6 s THR 44 Cb -0.02 -3.43 -0.06 0.00 1.34 0.00 0.00 72.50 70.33 2ux6 s THR 44 CO -0.00 -0.08 0.81 -0.63 -0.54 0.00 0.00 174.62 174.17 2ux6 s ILE 45 N -1.69 4.66 0.11 2.99 1.01 -0.03 -4.79 121.20 123.46 2ux6 s ILE 45 Ca 0.66 1.73 -0.36 0.00 0.00 0.00 0.00 60.65 62.68 2ux6 s ILE 45 Cb -0.24 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 37.91 2ux6 s ILE 45 CO 0.29 0.37 1.41 1.17 0.00 0.00 0.00 174.94 178.18 2ux6 n LYS 46 N 2.71 1.48 -0.81 2.79 4.81 -1.26 -1.46 118.16 126.42 2ux6 n LYS 46 Ca -0.02 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 2ux6 n LYS 46 Cb 0.50 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.34 2ux6 n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ux6 n GLY 47 N 2.79 1.35 1.14 3.14 0.00 -1.26 -4.91 105.19 107.44 2ux6 n GLY 47 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 2ux6 n GLY 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ux6 n MET 48 N -2.00 2.14 -4.24 1.61 2.81 -0.53 -4.85 117.12 112.06 2ux6 n MET 48 Ca 0.00 -3.08 -0.16 0.00 -1.81 0.00 0.00 57.70 52.65 2ux6 n MET 48 Cb 0.00 -1.84 -0.10 0.00 -0.71 0.00 0.00 33.22 30.56 2ux6 n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2ux6 s ILE 49 N -3.14 1.23 0.81 2.02 -4.36 -1.26 -0.62 121.20 115.89 2ux6 s ILE 49 Ca 0.45 -1.90 -0.11 0.00 -0.26 0.00 0.00 60.65 58.82 2ux6 s ILE 49 Cb 0.39 -1.69 0.08 0.00 1.25 0.00 0.00 42.46 42.50 2ux6 s ILE 49 CO 0.03 -0.61 1.12 -2.84 0.24 0.00 0.00 174.94 172.88 2ux6 s PRO 50 N -3.27 1.81 0.24 0.37 0.02 -1.25 -4.92 135.00 128.00 2ux6 s PRO 50 Ca 0.13 1.38 -0.12 0.00 0.02 0.00 0.00 61.00 62.41 2ux6 s PRO 50 Cb -0.01 -1.83 0.31 0.00 0.02 0.00 0.00 34.50 33.00 2ux6 s PRO 50 CO 0.02 -2.01 1.60 -0.44 -0.33 0.00 0.00 177.00 175.84 2ux6 h ASP 51 N -1.26 -0.75 -0.54 2.53 5.19 -1.98 -1.66 116.42 117.95 2ux6 h ASP 51 Ca -0.44 0.23 -0.13 0.00 -0.62 0.00 0.00 57.03 56.07 2ux6 h ASP 51 Cb 1.25 0.49 -0.08 0.00 0.18 0.00 0.00 39.33 41.17 2ux6 h ASP 51 CO 0.48 -0.26 0.17 0.61 -3.12 0.00 0.00 179.24 177.12 2ux6 n GLY 52 N -1.51 3.06 3.82 2.75 0.00 -1.26 -4.89 105.19 107.16 2ux6 n GLY 52 Ca 0.11 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 2ux6 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ux6 s ALA 53 N -2.39 3.67 -0.01 4.61 0.00 -0.63 -4.71 121.76 122.31 2ux6 s ALA 53 Ca 0.42 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 2ux6 s ALA 53 Cb 0.33 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2ux6 s ALA 53 CO 0.11 0.68 0.13 -1.21 0.00 0.00 0.00 175.76 175.46 2ux6 s GLU 54 N -2.67 3.23 0.81 0.00 0.41 -1.26 -4.88 118.70 114.33 2ux6 s GLU 54 Ca 0.31 -0.41 -0.11 0.00 -0.41 0.00 0.00 54.97 54.35 2ux6 s GLU 54 Cb -0.12 -2.97 0.08 0.00 -1.78 0.00 0.00 34.13 29.35 2ux6 s GLU 54 CO 0.24 0.66 1.10 0.00 -0.49 0.00 0.00 175.26 176.76 2ux6 s ALA 55 N -1.25 2.05 0.07 5.21 0.00 -1.26 -5.05 121.76 121.53 2ux6 s ALA 55 Ca 0.25 0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.29 2ux6 s ALA 55 Cb -0.12 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.75 2ux6 s ALA 55 CO 0.16 -1.97 0.35 -0.59 0.00 0.00 0.00 175.76 173.71 2ux6 s PHE 56 N -2.88 -0.15 -0.14 0.00 -0.12 -1.26 -5.01 117.98 108.41 2ux6 s PHE 56 Ca 0.62 -0.03 -0.09 0.00 -0.05 0.00 0.00 56.93 57.37 2ux6 s PHE 56 Cb -0.18 0.16 0.05 0.00 -0.63 0.00 0.00 43.02 42.42 2ux6 s PHE 56 CO 0.56 -0.58 0.36 0.21 -0.05 0.00 0.00 175.22 175.72 2ux6 s LYS 57 N -3.01 0.36 0.38 1.99 2.20 -1.26 -1.60 119.74 118.78 2ux6 s LYS 57 Ca -0.02 0.64 0.07 0.00 -0.36 0.00 0.00 55.97 56.30 2ux6 s LYS 57 Cb 0.01 0.02 -0.01 0.00 -1.51 0.00 0.00 37.83 36.34 2ux6 s LYS 57 CO -0.06 -0.13 0.46 -1.54 -0.36 0.00 0.00 175.35 173.72 2ux6 s SER 58 N 1.00 5.60 0.34 1.43 1.04 -0.01 -5.01 113.70 118.10 2ux6 s SER 58 Ca -0.07 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 55.85 2ux6 s SER 58 Cb -0.07 -0.89 -0.07 0.00 0.10 0.00 0.00 66.02 65.09 2ux6 s SER 58 CO -0.08 -0.56 0.71 -0.54 0.98 0.00 0.00 173.24 173.74 2ux6 s LYS 59 N -4.20 3.84 0.13 4.02 1.02 -1.26 -4.58 119.74 118.71 2ux6 s LYS 59 Ca 0.48 0.45 -0.35 0.00 0.02 0.00 0.00 55.97 56.57 2ux6 s LYS 59 Cb -0.08 -2.47 -0.15 0.00 -0.52 0.00 0.00 37.83 34.61 2ux6 s LYS 59 CO 0.30 0.10 1.45 -0.89 -0.92 0.00 0.00 175.35 175.39 2ux6 n ILE 60 N -0.81 0.06 -0.88 2.17 2.08 -1.26 -1.49 119.36 119.23 2ux6 n ILE 60 Ca 0.02 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2ux6 n ILE 60 Cb 0.53 -1.17 0.00 0.00 -0.75 0.00 0.00 39.64 38.25 2ux6 n ILE 60 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2ux6 n ASN 61 N 2.90 -0.60 -4.73 4.38 3.02 -0.33 -4.96 115.26 114.93 2ux6 n ASN 61 Ca 0.17 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.31 2ux6 n ASN 61 Cb 0.24 -0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 38.54 2ux6 n ASN 61 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2ux6 s GLU 62 N -0.33 4.69 -0.11 3.52 2.12 -0.56 -4.77 118.70 123.26 2ux6 s GLU 62 Ca 0.00 1.53 -0.30 0.00 0.36 0.00 0.00 54.97 56.57 2ux6 s GLU 62 Cb 0.00 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 2ux6 s GLU 62 CO 0.00 0.22 1.13 -0.80 -0.54 0.00 0.00 175.26 175.27 2ux6 s ASN 63 N -0.21 7.10 -0.09 -1.70 0.01 -1.26 -4.53 114.94 114.26 2ux6 s ASN 63 Ca 0.47 1.65 -0.01 0.00 -0.71 0.00 0.00 52.86 54.25 2ux6 s ASN 63 Cb -0.25 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 38.88 2ux6 s ASN 63 CO 0.32 -0.58 -0.01 -0.47 -1.51 0.00 0.00 177.10 174.85 2ux6 s TYR 64 N 2.50 0.82 -0.12 2.20 5.04 -0.28 -4.96 117.35 122.54 2ux6 s TYR 64 Ca 0.52 -0.32 -0.04 0.00 -2.44 0.00 0.00 57.07 54.79 2ux6 s TYR 64 Cb -0.21 -0.89 -0.03 0.00 0.35 0.00 0.00 41.96 41.18 2ux6 s TYR 64 CO 0.17 -0.38 0.00 0.21 -1.34 0.00 0.00 175.55 174.21 2ux6 s LYS 65 N 1.92 3.38 -0.01 4.97 2.20 -1.26 -0.53 119.74 130.41 2ux6 s LYS 65 Ca 0.04 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.27 2ux6 s LYS 65 Cb -0.13 -2.92 -0.01 0.00 -1.51 0.00 0.00 37.83 33.27 2ux6 s LYS 65 CO -0.06 0.49 -0.11 0.08 -0.36 0.00 0.00 175.35 175.39 2ux6 s VAL 66 N -0.29 0.89 -0.21 4.02 1.01 0.01 -5.00 120.40 120.83 2ux6 s VAL 66 Ca 0.06 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 2ux6 s VAL 66 Cb -0.12 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 2ux6 s VAL 66 CO 0.02 0.26 0.13 -0.89 0.00 0.00 0.00 175.10 174.62 2ux6 s THR 67 N -0.20 5.32 -0.26 3.92 2.01 -1.26 -1.09 115.64 124.07 2ux6 s THR 67 Ca 0.03 0.16 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 2ux6 s THR 67 Cb -0.05 -3.44 -0.00 0.00 0.01 0.00 0.00 72.50 69.02 2ux6 s THR 67 CO -0.00 0.41 0.03 -0.36 -0.69 0.00 0.00 174.62 174.01 2ux6 s PHE 68 N 0.58 3.07 -0.01 4.92 0.08 -0.24 -4.95 117.98 121.43 2ux6 s PHE 68 Ca 0.07 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.22 2ux6 s PHE 68 Cb -0.12 -2.19 -0.01 0.00 -0.57 0.00 0.00 43.02 40.14 2ux6 s PHE 68 CO 0.00 -0.54 -0.00 0.25 -0.10 0.00 0.00 175.22 174.83 2ux6 n THR 69 N 4.84 0.04 -2.35 0.64 -2.24 -1.26 -0.21 114.28 113.74 2ux6 n THR 69 Ca -0.16 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 2ux6 n THR 69 Cb 0.49 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 2ux6 n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ux6 s ALA 70 N -2.01 3.45 0.43 6.98 0.00 -1.26 -4.66 121.76 124.68 2ux6 s ALA 70 Ca -0.01 0.95 -0.24 0.00 0.00 0.00 0.00 51.96 52.66 2ux6 s ALA 70 Cb 0.00 -3.45 -0.08 0.00 0.00 0.00 0.00 23.12 19.59 2ux6 s ALA 70 CO 0.02 -0.44 1.15 -1.25 0.00 0.00 0.00 175.76 175.23 2ux6 s PRO 71 N 0.44 3.94 0.00 0.00 0.04 -1.26 -4.70 135.00 133.46 2ux6 s PRO 71 Ca 0.57 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2ux6 s PRO 71 Cb -0.32 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2ux6 s PRO 71 CO 0.33 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.39 2ux6 n GLY 72 N 0.49 0.85 3.85 0.56 0.00 -0.53 -4.74 105.19 105.66 2ux6 n GLY 72 Ca 0.06 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2ux6 n GLY 72 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ux6 s VAL 73 N -1.78 5.04 -0.25 1.61 -7.23 -1.26 -0.47 120.40 116.06 2ux6 s VAL 73 Ca 0.00 -0.43 0.01 0.00 -1.81 0.00 0.00 61.98 59.75 2ux6 s VAL 73 Cb 0.00 -3.39 0.07 0.00 0.56 0.00 0.00 36.38 33.62 2ux6 s VAL 73 CO 0.00 0.23 -0.02 -0.31 -0.31 0.00 0.00 175.10 174.69 2ux6 s TYR 74 N -1.36 2.34 -0.02 2.82 1.51 1.00 -3.81 117.35 119.82 2ux6 s TYR 74 Ca 0.29 -1.80 -0.30 0.00 -1.01 0.00 0.00 57.07 54.24 2ux6 s TYR 74 Cb -0.12 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 2ux6 s TYR 74 CO 0.21 -0.79 1.02 0.20 -1.11 0.00 0.00 175.55 175.08 2ux6 s GLY 75 N 1.41 2.70 0.17 0.71 0.00 0.21 -1.46 107.32 111.06 2ux6 s GLY 75 Ca -0.02 0.54 0.09 0.00 0.00 0.00 0.00 44.72 45.33 2ux6 s GLY 75 CO -0.09 1.80 -0.19 -1.34 0.00 0.00 0.00 173.10 173.28 2ux6 s VAL 76 N 1.28 1.89 0.12 1.40 -7.23 -0.12 -0.85 120.40 116.88 2ux6 s VAL 76 Ca 0.52 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.69 2ux6 s VAL 76 Cb -0.21 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 2ux6 s VAL 76 CO 0.26 -0.30 0.14 -1.59 -0.31 0.00 0.00 175.10 173.29 2ux6 s LYS 77 N -2.82 0.92 -0.20 4.82 -2.85 0.23 -1.03 119.74 118.82 2ux6 s LYS 77 Ca 0.17 -1.20 -0.07 0.00 -1.00 0.00 0.00 55.97 53.87 2ux6 s LYS 77 Cb -0.06 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 2ux6 s LYS 77 CO 0.07 -0.28 0.04 0.00 0.10 0.00 0.00 175.35 175.28 2ux6 h THR 79 N 5.12 0.53 0.00 0.00 2.02 -1.90 -2.85 112.91 115.83 2ux6 h THR 79 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2ux6 h THR 79 Cb 1.18 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2ux6 h THR 79 CO 0.65 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.73 2ux6 n PRO 80 N -5.33 0.14 -3.97 6.66 -0.04 -1.26 -4.66 135.00 126.54 2ux6 n PRO 80 Ca -0.04 0.30 -0.31 0.00 -0.04 0.00 0.00 63.50 63.41 2ux6 n PRO 80 Cb 0.24 -1.73 -0.15 0.00 -0.04 0.00 0.00 33.50 31.82 2ux6 n PRO 80 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ux6 s HIS 81 N -3.17 3.25 0.49 0.54 3.76 -1.08 -5.01 115.29 114.08 2ux6 s HIS 81 Ca 0.07 -2.61 0.15 0.00 -0.15 0.00 0.00 55.06 52.52 2ux6 s HIS 81 Cb 0.11 -2.49 1.17 0.00 1.11 0.00 0.00 32.58 32.48 2ux6 s HIS 81 CO 0.42 -0.91 2.09 -1.00 -0.85 0.00 0.00 174.74 174.48 2ux6 h PRO 82 N 7.74 0.16 -0.02 8.40 0.13 -1.83 -1.76 132.00 144.81 2ux6 h PRO 82 Ca -0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2ux6 h PRO 82 Cb 1.03 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2ux6 h PRO 82 CO 0.50 0.10 -0.03 1.19 -0.23 0.00 0.00 178.00 179.52 2ux6 n PHE 83 N -4.50 0.00 -2.74 1.56 3.72 -1.26 -4.72 117.46 109.52 2ux6 n PHE 83 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2ux6 n PHE 83 Cb 0.18 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 2ux6 n PHE 83 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 2ux6 s MET 84 N -2.04 3.33 0.10 -1.08 1.75 -0.66 -4.69 119.30 116.00 2ux6 s MET 84 Ca 0.31 -0.95 -0.00 0.00 -1.25 0.00 0.00 55.69 53.79 2ux6 s MET 84 Cb 0.20 -4.59 -0.04 0.00 2.84 0.00 0.00 34.83 33.24 2ux6 s MET 84 CO 0.33 -1.96 -0.01 0.14 -0.65 0.00 0.00 175.02 172.88 2ux6 s VAL 85 N 4.33 0.33 0.31 10.11 -7.23 -1.26 -1.48 120.40 125.51 2ux6 s VAL 85 Ca 0.32 -1.89 -0.19 0.00 -1.81 0.00 0.00 61.98 58.41 2ux6 s VAL 85 Cb -0.09 -1.79 0.05 0.00 0.56 0.00 0.00 36.38 35.10 2ux6 s VAL 85 CO 0.03 -0.74 0.81 -0.83 -0.31 0.00 0.00 175.10 174.06 2ux6 s GLY 86 N -3.02 0.14 -0.04 2.32 0.00 -0.20 -4.53 107.32 101.99 2ux6 s GLY 86 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2ux6 s GLY 86 CO -0.04 0.08 -0.02 0.14 0.00 0.00 0.00 173.10 173.26 2ux6 s VAL 87 N -2.91 0.34 -0.16 1.40 1.01 0.57 -0.95 120.40 119.70 2ux6 s VAL 87 Ca 0.14 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 2ux6 s VAL 87 Cb -0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 2ux6 s VAL 87 CO 0.08 0.19 0.06 -0.69 0.00 0.00 0.00 175.10 174.75 2ux6 s VAL 88 N 1.14 4.79 -0.10 2.92 1.01 -0.54 -1.65 120.40 127.98 2ux6 s VAL 88 Ca -0.08 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2ux6 s VAL 88 Cb -0.14 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 2ux6 s VAL 88 CO -0.01 0.49 -0.22 -1.58 0.00 0.00 0.00 175.10 173.78 2ux6 s GLN 89 N 0.08 3.03 -0.27 2.72 0.74 0.18 -0.00 119.66 126.14 2ux6 s GLN 89 Ca 0.05 -0.84 -0.09 0.00 0.05 0.00 0.00 55.36 54.53 2ux6 s GLN 89 Cb -0.12 -2.35 -0.04 0.00 1.10 0.00 0.00 33.01 31.60 2ux6 s GLN 89 CO 0.01 0.23 0.13 0.08 -0.55 0.00 0.00 175.29 175.18 2ux6 s VAL 90 N 0.24 4.75 0.00 1.34 1.01 0.38 -0.56 120.40 127.55 2ux6 s VAL 90 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2ux6 s VAL 90 Cb -0.17 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2ux6 s VAL 90 CO 0.07 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2ux6 n GLY 91 N 4.99 -1.97 3.88 4.51 0.00 -0.94 -1.45 105.19 114.20 2ux6 n GLY 91 Ca -0.15 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.27 2ux6 n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ux6 s ASP 92 N -4.00 5.27 -1.00 1.61 1.01 -1.26 -4.78 116.67 113.51 2ux6 s ASP 92 Ca 0.00 -0.56 -0.16 0.00 0.71 0.00 0.00 52.55 52.54 2ux6 s ASP 92 Cb 0.00 -0.82 0.02 0.00 1.01 0.00 0.00 42.92 43.12 2ux6 s ASP 92 CO 0.00 -0.49 0.66 0.00 0.21 0.00 0.00 175.17 175.54 2ux6 n ALA 93 N -1.48 -2.70 -1.79 5.23 0.00 -1.26 -4.85 120.51 113.66 2ux6 n ALA 93 Ca 0.01 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 2ux6 n ALA 93 Cb 0.60 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 2ux6 n ALA 93 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ux6 s PRO 94 N -5.93 4.15 0.28 0.00 0.04 -1.26 -4.92 135.00 127.36 2ux6 s PRO 94 Ca 0.24 2.52 0.14 0.00 0.04 0.00 0.00 61.00 63.94 2ux6 s PRO 94 Cb -0.12 -3.04 0.22 0.00 0.04 0.00 0.00 34.50 31.60 2ux6 s PRO 94 CO 0.92 -0.58 1.51 0.00 0.04 0.00 0.00 177.00 178.89 2ux6 h ALA 95 N 4.88 0.73 -0.79 8.56 0.00 -1.88 -3.29 119.26 127.46 2ux6 h ALA 95 Ca -0.47 -0.51 -0.33 0.00 0.00 0.00 0.00 54.91 53.60 2ux6 h ALA 95 Cb 1.22 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 2ux6 h ALA 95 CO 0.79 0.70 0.39 0.27 0.00 0.00 0.00 179.25 181.40 2ux6 n ASN 96 N -3.38 4.12 -0.29 0.00 6.94 -1.26 -4.68 115.26 116.72 2ux6 n ASN 96 Ca 0.01 -3.44 0.08 0.00 -0.02 0.00 0.00 54.58 51.21 2ux6 n ASN 96 Cb 0.70 -0.77 0.23 0.00 -2.36 0.00 0.00 39.78 37.58 2ux6 n ASN 96 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2ux6 h LEU 97 N 1.78 0.45 -1.66 -4.53 5.85 -1.95 -1.80 115.31 113.46 2ux6 h LEU 97 Ca 0.41 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 59.21 2ux6 h LEU 97 Cb 2.46 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 43.53 2ux6 h LEU 97 CO 0.84 0.17 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.65 2ux6 h GLU 98 N 0.56 0.00 -0.16 1.25 4.39 -1.91 -0.87 114.58 117.83 2ux6 h GLU 98 Ca 0.47 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.16 2ux6 h GLU 98 Cb 0.71 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 2ux6 h GLU 98 CO -0.39 0.13 0.07 0.00 -1.16 0.00 0.00 179.01 177.65 2ux6 h ALA 99 N 1.87 1.82 0.01 3.43 0.00 -1.66 -0.40 119.26 124.33 2ux6 h ALA 99 Ca -0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 2ux6 h ALA 99 Cb 0.48 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2ux6 h ALA 99 CO 0.02 0.15 -1.72 0.28 0.00 0.00 0.00 179.25 177.98 2ux6 n VAL 100 N -4.47 1.55 -0.19 0.00 0.31 -0.94 -4.25 118.33 110.35 2ux6 n VAL 100 Ca -0.01 -0.20 -0.10 0.00 -0.01 0.00 0.00 64.34 64.03 2ux6 n VAL 100 Cb 0.11 -1.95 0.03 0.00 -0.91 0.00 0.00 33.84 31.12 2ux6 n VAL 100 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2ux6 h LYS 101 N -0.87 1.03 -0.20 5.55 3.64 -1.14 -2.99 116.57 121.59 2ux6 h LYS 101 Ca -0.46 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 58.55 2ux6 h LYS 101 Cb 1.48 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 2ux6 h LYS 101 CO -0.24 1.06 0.00 0.41 -2.27 0.00 0.00 179.45 178.41 2ux6 n GLY 102 N -0.31 0.57 3.74 5.01 0.00 -0.16 -4.96 105.19 109.07 2ux6 n GLY 102 Ca 0.02 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 2ux6 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ux6 s ALA 103 N -1.74 1.82 -0.50 4.61 0.00 -1.13 -5.00 121.76 119.82 2ux6 s ALA 103 Ca 0.33 0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.45 2ux6 s ALA 103 Cb 0.18 -3.23 0.38 0.00 0.00 0.00 0.00 23.12 20.45 2ux6 s ALA 103 CO 0.27 -2.13 1.01 1.63 0.00 0.00 0.00 175.76 176.54 2ux6 n LYS 104 N -3.75 3.15 -2.03 0.00 4.76 -1.26 -5.05 118.16 113.98 2ux6 n LYS 104 Ca 0.08 -4.60 -0.28 0.00 -2.87 0.00 0.00 58.31 50.64 2ux6 n LYS 104 Cb 0.54 -2.19 0.06 0.00 -1.84 0.00 0.00 35.03 31.61 2ux6 n LYS 104 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2ux6 s ASN 105 N -3.45 5.08 0.26 4.39 0.01 -1.26 -5.00 114.94 114.98 2ux6 s ASN 105 Ca 0.47 0.84 -0.28 0.00 -0.71 0.00 0.00 52.86 53.18 2ux6 s ASN 105 Cb 0.34 -1.55 -0.15 0.00 0.41 0.00 0.00 41.25 40.30 2ux6 s ASN 105 CO -0.15 -1.51 0.94 -2.65 -1.51 0.00 0.00 177.10 172.22 2ux6 n PRO 106 N -3.01 1.10 -0.28 -0.60 -0.02 -1.26 -4.48 135.00 126.44 2ux6 n PRO 106 Ca 0.07 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 2ux6 n PRO 106 Cb 0.59 -1.70 0.25 0.00 -0.02 0.00 0.00 33.50 32.62 2ux6 n PRO 106 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2ux6 h LYS 107 N 1.93 0.29 -0.67 -0.52 1.79 -1.98 0.14 116.57 117.56 2ux6 h LYS 107 Ca -0.38 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.00 2ux6 h LYS 107 Cb 1.36 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.92 2ux6 h LYS 107 CO 0.61 0.19 0.11 -0.22 -1.08 0.00 0.00 179.45 179.07 2ux6 h LYS 108 N 0.30 1.10 -0.11 3.15 1.63 -1.99 0.31 116.57 120.96 2ux6 h LYS 108 Ca 0.50 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 2ux6 h LYS 108 Cb 0.94 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.43 2ux6 h LYS 108 CO -0.56 1.00 -0.00 0.00 -3.45 0.00 0.00 179.45 176.45 2ux6 h ALA 109 N 1.05 0.15 -0.71 5.00 0.00 -1.12 -2.77 119.26 120.86 2ux6 h ALA 109 Ca 0.20 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2ux6 h ALA 109 Cb 0.43 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2ux6 h ALA 109 CO 0.01 -0.15 0.32 0.37 0.00 0.00 0.00 179.25 179.80 2ux6 h GLN 110 N -0.07 1.02 -0.87 0.00 5.75 -0.69 -0.93 115.11 119.32 2ux6 h GLN 110 Ca 0.03 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 2ux6 h GLN 110 Cb 0.36 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 2ux6 h GLN 110 CO 0.01 0.80 0.49 0.93 -2.65 0.00 0.00 178.83 178.41 2ux6 h GLU 111 N 1.01 1.20 -0.33 1.69 5.08 -0.93 0.13 114.58 122.43 2ux6 h GLU 111 Ca 0.24 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2ux6 h GLU 111 Cb 0.13 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2ux6 h GLU 111 CO -0.03 0.87 0.11 0.00 -1.00 0.00 0.00 179.01 178.96 2ux6 h ARG 112 N 1.20 0.51 -0.47 2.33 3.08 -1.06 0.11 114.38 120.09 2ux6 h ARG 112 Ca 0.31 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.25 2ux6 h ARG 112 Cb 0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2ux6 h ARG 112 CO -0.05 0.54 0.31 -0.07 -1.07 0.00 0.00 179.97 179.63 2ux6 h LEU 113 N 0.38 0.54 -0.40 3.04 3.38 -0.87 -1.21 115.31 120.16 2ux6 h LEU 113 Ca 0.11 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2ux6 h LEU 113 Cb 0.24 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2ux6 h LEU 113 CO -0.00 0.39 0.02 0.44 0.09 0.00 0.00 178.44 179.38 2ux6 h ASP 114 N 0.63 0.68 -0.92 -0.43 3.32 -0.53 -1.33 116.42 117.84 2ux6 h ASP 114 Ca 0.17 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2ux6 h ASP 114 Cb -0.07 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 2ux6 h ASP 114 CO -0.04 0.81 0.54 0.00 -1.72 0.00 0.00 179.24 178.83 2ux6 h ALA 115 N 0.90 1.22 -0.41 3.45 0.00 -0.70 -0.60 119.26 123.13 2ux6 h ALA 115 Ca 0.12 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2ux6 h ALA 115 Cb 0.44 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2ux6 h ALA 115 CO 0.02 0.66 0.15 0.00 0.00 0.00 0.00 179.25 180.07 2ux6 h ALA 116 N 1.32 0.48 -0.70 0.00 0.00 -0.85 0.52 119.26 120.03 2ux6 h ALA 116 Ca 0.33 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 2ux6 h ALA 116 Cb -0.03 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2ux6 h ALA 116 CO -0.06 -0.24 0.32 -0.07 0.00 0.00 0.00 179.25 179.21 2ux6 h LEU 117 N 0.32 0.90 -0.38 0.00 3.38 -0.67 -1.89 115.31 116.97 2ux6 h LEU 117 Ca 0.19 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2ux6 h LEU 117 Cb 0.16 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2ux6 h LEU 117 CO -0.18 0.77 -0.29 0.00 0.09 0.00 0.00 178.44 178.83 2ux6 h ALA 118 N 1.37 0.55 0.00 1.53 0.00 -0.77 -2.52 119.26 119.41 2ux6 h ALA 118 Ca 0.24 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2ux6 h ALA 118 Cb 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ux6 h ALA 118 CO -0.03 0.58 -0.15 0.00 0.00 0.00 0.00 179.25 179.65 2ux6 h ALA 119 N 0.78 1.68 0.00 0.00 0.00 -0.55 -1.69 119.26 119.48 2ux6 h ALA 119 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ux6 h ALA 119 Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2ux6 h ALA 119 CO 0.08 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.79 2ux6 n LEU 120 N -4.25 0.00 0.00 0.00 4.77 -0.74 -4.88 117.00 111.90 2ux6 n LEU 120 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2ux6 n LEU 120 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2ux6 n LEU 120 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2ux6 n GLY 121 N 0.72 0.58 0.48 -0.72 0.00 -0.64 -5.07 105.19 100.55 2ux6 n GLY 121 Ca 0.19 -0.61 0.14 0.00 0.00 0.00 0.00 46.02 45.74 2ux6 n GLY 121 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02